Glycoside
...
GD110051

Name:
[3,4,5-tris(acetyloxy)-6-({4-methyl-6-oxo-6H,7H,8H,9H,10H,11H-cyclohepta[c]chromen-3-yl}oxy)oxan-2-yl]methyl acetate

Formula:
C29H34O12

Smiles:
CC(=O)OC[C@H]1O[C@@H](Oc2ccc3c4c(c(=O)oc3c2C)CCCCC4)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Aglycone:
COC(C)=O.Cc1c(O)ccc2c3c(c(=O)oc12)CCCCC3

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 0 FractionCSP3: 0.55
AlogP: 2.83 Num_rotatable_bonds: 7
MolWt: 574.58 Num_heavy_atoms: 41
TPSA: 153.87 NumAromaticRings: 2

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD17837
Formula: C15H16O3

Smiles:
Cc1c(O)ccc2c3c(c(=O)oc12)CCCCC3
HBA: 3 RingCount: 3
HBD: 1 FractionCSP3: 0.4
AlogP: 3.08 Num_rotatable_bonds: 0
MolWt: 244.29 Num_heavy_atoms: 18
TPSA: 50.44 NumAromaticRings: 2

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O